SCHEMBL20197027

SCHEMBL20197027

CCOC(=O)C1(C/N=C/Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ GPR119 Q8TDV5 4/20 0.34
▸ RECQL P46063 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16839659 0.79 KCNQ2 (0.41) KDM4ENPSR1POLBMEN1HSP90AA1
SCHEMBL16839733 0.75 KCNQ2 (0.43) KDM4ENPSR1POLBALDH1A1MMP2
SCHEMBL16762036 0.70 CCR2 (0.37) KDM4ENPSR1POLBALDH1A1CCR2
SCHEMBL18025451 0.69 CCR2 (0.36) KDM4ENPSR1POLBCCR2MEN1
SCHEMBL16839110 0.69 CCR2 (0.36) KDM4ENPSR1POLBALDH1A1CCR2
SCHEMBL16112014 0.68 LMNA (0.56) KDM4ENPSR1POLBALDH1A1MEN1
SCHEMBL1464315 0.67 MMP13 (0.59) NPSR1ALDH1A1MEN1KMT2AMMP2
SCHEMBL24529777 0.66 OPRM1 (0.46) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16839837 0.66 KCNQ2 (0.47) KDM4ENPSR1POLBALDH1A1
SCHEMBL16839111 0.66 KDM4E (0.38) KDM4EALDH1A1CCR2MEN1HSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
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